Cas no 35285-26-8 (Piperidine,2-methyl-6-tridecyl-, (2R,6S)-rel-)
35285-26-8 structure
Product Name:Piperidine,2-methyl-6-tridecyl-, (2R,6S)-rel-
Piperidine,2-methyl-6-tridecyl-, (2R,6S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Piperidine,2-methyl-6-tridecyl-, (2R,6S)-rel-
- METHYLTRODECYLPIPERIDINE, CIS
- METHYLTRIDECYLPIPERIDINE, TRANS
- 32778-77-1
- NSC 177343
- SCHEMBL3217495
- NSC177343
- NSC-177342
- AJAXYTHTWGIEHL-UHFFFAOYSA-N
- 2-Methyl-6-tridecylpiperidine
- NSC177342
- 35285-26-8
- DTXSID10954429
- NSC-177343
- Piperidine, 2-methyl-6-tridecyl-, (2R-trans)-
-
- Inchi： 1S/C19H39N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)20-19/h18-20H,3-17H2,1-2H3
- InChI Key： AJAXYTHTWGIEHL-UHFFFAOYSA-N
- SMILES： N1C(C)CCCC1CCCCCCCCCCCCC
Computed Properties
- Exact Mass: 281.30847
- Monoisotopic Mass: 281.308250248g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
- LogP: 6.54690
Piperidine,2-methyl-6-tridecyl-, (2R,6S)-rel- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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